Trifluoroacetic acid → HCID 178430742, compound

HRID 124689Notes

Reaction equation

HRID 124689 reaction equation
[CH3:16][O:17][c:18]1[cH:19][cH:20][c:21]([CH2:22][S:23][CH:24]2[CH2:25][CH:26]([C:42](=[O:43])[N:44]3[CH:45]([CH3:63])[CH2:46][N:47]([C:50](=[O:51])[O:52][CH2:53][c:54]4[cH:55][cH:56][c:57]([N+:60](=[O:61])[O-:62])[cH:58][cH:59]4)[CH2:48][CH2:49]3)[N:27]([C:29](=[O:30])[O:31][CH2:32][c:33]3[cH:34][cH:35][c:36]([N+:39](=[O:40])[O-:41])[cH:37][cH:38]3)[CH2:28]2)[cH:64][cH:65]1.[CH3:66][O:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7].[OH:8][S:9]([C:10]([F:11])([F:12])[F:13])(=[O:14])=[O:15]>>[SH:23][CH:24]1[CH2:25][CH:26]([C:42](=[O:43])[N:44]2[CH:45]([CH3:63])[CH2:46][N:47]([C:50](=[O:51])[O:52][CH2:53][c:54]3[cH:55][cH:56][c:57]([N+:60](=[O:61])[O-:62])[cH:58][cH:59]3)[CH2:48][CH2:49]2)[N:27]([C:29](=[O:30])[O:31][CH2:32][c:33]2[cH:34][cH:35][c:36]([N+:39](=[O:40])[O-:41])[cH:37][cH:38]2)[CH2:28]1

Participants

5

Reactant 4

HCID 6422Trifluoroacetic acidHCID 7519AnisoleHCID 62406Trifluoromethanesulfonic acidHCID 178491680HCID 178491680, compound

Product 1

HCID 178430742HCID 178430742, compound

Sources & evidence

ORD record
ord-759d83fe2f8b4517ad9d6996b8aa8e10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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